SCHEMBL11635129

SCHEMBL11635129

Cc1[c]c(O)n(-c2ccc(Cl)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.45
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
PPP1CA P62136 1/20 0.41
PTGS2 P35354 3/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
PRKCZ Q05513 1/20 0.40
RPA1 P27694 1/20 0.40
MALT1 Q9UDY8 4/20 0.39
KMT2A Q03164 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
PTGS1 P23219 1/20 0.37
SMPD1 P17405 1/20 0.37
MAPT P10636 1/20 0.37
GRM1 Q13255 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11637076 0.85 ALDH1A1 (0.41) POLBSMN1; SMN2PPP1CANPC1RAB9A
SCHEMBL28839820 0.82 PTGS2 (0.41) SMN1; SMN2PTGS2NPC1RAB9AKMT2A
SCHEMBL10049725 0.69 NPC1 (0.49) NOTUMPOLBSMN1; SMN2PPP1CAPTGS2
SCHEMBL10707004 0.69 POLB (0.60) NOTUMPOLBSMN1; SMN2PTGS2NPC1
SCHEMBL10360347 0.69 KMT2A (0.54) NOTUMPOLBSMN1; SMN2PPP1CAPTGS2
SCHEMBL18148746 0.66 NOTUM (0.45) NOTUMPOLBSMN1; SMN2NPC1GAA
SCHEMBL27498529 0.66 GRM1 (0.47) NOTUMPOLBSMN1; SMN2PTGS2NPC1
SCHEMBL9026811 0.64 POLB (0.46) NOTUMPOLBSMN1; SMN2PPP1CAPTGS2
SCHEMBL7220972 0.64 POLB (0.42) NOTUMPOLBSMN1; SMN2PPP1CAPTGS2
SCHEMBL12770967 0.64 POLB (0.64) POLBSMN1; SMN2NPC1GAARAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4101540-A USEFUL FOR DYEING ACRYLONITRILE POLYMERS OR ACID-MODIFIED POLYESTERS OR POLYAMIDES PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1978-07-18 US claimed